(2R)-2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: (2R)-2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: (2R)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2R)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: (2R)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]propionate Formula: C9H15N4O2S- MolecularWeight: 243.306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SC(C)C(=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(N1N)S[C@H](C)C(=O)[O-]

InChI

InChI=1S/C9H16N4O2S/c1-3-4-5-7-11-12-9(13(7)10)16-6(2)8(14)15/h6H,3-5,10H2,1-2H3,(H,14,15)/p-1/t6-/m1/s1